3-(naphthalen-2-ylsulfonylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(naphthalen-2-ylsulfonylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(2-naphthylsulfonylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(2-naphthalenylsulfonylamino)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(naphthalen-2-ylsulfonylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(2-naphthylsulfonylamino)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C26H32N3O3S+ MolecularWeight: 466.61558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H31N3O3S/c30-26(27-19-21-8-10-22(11-9-21)20-29-16-4-1-5-17-29)14-15-28-33(31,32)25-13-12-23-6-2-3-7-24(23)18-25/h2-3,6-13,18,28H,1,4-5,14-17,19-20H2,(H,27,30)/p+1